Chem
J-GLOBAL ID:200907002856712225
Nikkaji number:J2.498.594F
2-[[(1S)-1-(Hydroxymethyl)-2-methylpropyl]aminomethyl]-6-methylphenol
2-[[(1S)-1-(ヒドロキシメチル)-2-メチルプロピル]アミノメチル]-6-メチルフェノール
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C13 H21 NO2
Molecular formula furigana:
C13-H21-N-O2
Molecular weight:
223.316
InChI:
InChI=1S/C13H21NO2/c1-9(2)12(8-15)14-7-11-6-4-5-10(3)13(11)16/h4-6,9,12,14-16H,7-8H2,1-3H3/t12-/m1/s1
InChI key:
ZIHDWYABJPAAIO-GFCCVEGCSA-N
SMILES:
CC(C)[C@@H](CO)NCc1cccc(C)c1O
Systematic name (3):
2-[[(1S)-1-(ヒドロキシメチル)-2-メチルプロピル]アミノメチル]-6-メチルフェノール
2-({[(2S)-1-ヒドロキシ-3-メチルブタン-2-イル]アミノ}メチル)-6-メチルフェノール
2-({[(2S)-1-hydroxy-3-methylbutan-2-yl]amino}methyl)-6-methylphenol
Other name (1):
2-[[(1S)-1-(Hydroxymethyl)-2-methylpropyl]aminomethyl]-6-methylphenol
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